CID 379831

Nsc664962

Structural Information

Molecular Formula
C9H10F4Se
SMILES
C1CC2CC1C3C2[Se]C(C3(F)F)(F)F
InChI
InChI=1S/C9H10F4Se/c10-8(11)6-4-1-2-5(3-4)7(6)14-9(8,12)13/h4-7H,1-3H2
InChIKey
PHSQTDFFDQCHTE-UHFFFAOYSA-N
Compound name
4,4,5,5-tetrafluoro-3-selenatricyclo[5.2.1.02,6]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.98837 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.99565 153.6
[M+Na]+ 296.97759 164.0
[M-H]- 272.98109 152.7
[M+NH4]+ 292.02219 183.7
[M+K]+ 312.95153 158.8
[M+H-H2O]+ 256.98563 147.3
[M+HCOO]- 318.98657 168.8
[M+CH3COO]- 333.00222 165.6
[M+Na-2H]- 294.96304 153.2
[M]+ 273.98782 147.1
[M]- 273.98892 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.